Numerical solving of the vibrational time-independent Schrödinger equation in one and two dimensions using the variational method
- 1 March 2002
- journal article
- research article
- Published by Elsevier in Computer Physics Communications
- Vol. 143 (3) , 222-240
- https://doi.org/10.1016/s0010-4655(01)00457-x
Abstract
No abstract availableKeywords
This publication has 51 references indexed in Scilit:
- Proton Transfer Dynamics in Acetylacetone: A Mixed Quantum-Classical Simulation of Vibrational SpectraThe Journal of Physical Chemistry A, 2001
- Density Functional Study on Phenol Derivative−Ammonia Complexes in the Gas PhaseThe Journal of Physical Chemistry A, 2000
- Spectroscopic determination of ground and excited state vibrational potential energy surfacesInternational Reviews in Physical Chemistry, 1999
- Ultrafast photoinduced dissipative hydrogen switching dynamics in thioacetylacetonePhysical Chemistry Chemical Physics, 1999
- Proton tunnelling in polyatomic molecules: A direct-dynamics instanton approachInternational Reviews in Physical Chemistry, 1999
- Vibrational spectroscopy of the hydrogen bond: An ab initio quantum-chemical perspectiveInternational Reviews in Physical Chemistry, 1999
- A modular molecular dynamics / quantum dynamics program for non-adiabatic proton transfers in solutionComputer Physics Communications, 1997
- Calculation of the Proton Transfer Rate Using Density Matrix Evolution and Molecular Dynamics Simulations: Inclusion of the Proton Excited StatesThe Journal of Physical Chemistry, 1995
- Theoretical interpretation of acetone–HF infrared spectrum in the gas phaseThe Journal of Chemical Physics, 1992
- Vibrational eigenvalues. Sine basis setsThe Journal of Physical Chemistry, 1971